4,4'-[1,4-哌嗪二基二[(6-氯-1,3,5- 三嗪-4,2-二基)亚氨基]]二[5-羟基-6-[(4-甲基-2-磺基苯基)偶氮]-2,7- 萘二磺酸钾钠盐
2,7-naphthalenedisulfonic acid, 4,4'-(1,4-piperazinediylbis((6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((4-methyl-2-sulfophenyl)azo)-, potassium sodium salt · CAS 85959-05-3
- 中文名
- 4,4'-[1,4-哌嗪二基二[(6-氯-1,3,5- 三嗪-4,2-二基)亚氨基]]二[5-羟基-6-[(4-甲基-2-磺基苯基)偶氮]-2,7- 萘二磺酸钾钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-naphthalenedisulfonic acid, 4,4'-(1,4-piperazinediylbis((6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((4-methyl-2-sulfophenyl)azo)-, potassium sodium salt
- CAS
- 85959-05-3
- CID
- 136171071
- IUPAC 名称
- tripotassium;trisodium;5-[[4-chloro-6-[4-[4-chloro-6-[[8-hydroxy-7-[(4-methyl-2-sulfonatophenyl)diazenyl]-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- 4,4'-[1,4-哌嗪二基二[(6-氯-1,3,5- 三嗪-4,2-二基)亚氨基]]二[5-羟基-6-[(4-甲基-2-磺基苯基)偶氮]-2,7- 萘二磺酸钾钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-naphthalenedisulfonic acid, 4,4'-(1,4-piperazinediylbis((6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((4-methyl-2-sulfophenyl)azo)-, potassium sodium salt
- CAS
- 85959-05-3
- CID
- 136171071
- IUPAC 名称
- tripotassium;trisodium;5-[[4-chloro-6-[4-[4-chloro-6-[[8-hydroxy-7-[(4-methyl-2-sulfonatophenyl)diazenyl]-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C44H30Cl2K3N14Na3O20S6
- 分子量
- 1524.4 g/mol
- 精确质量
- 1521.8066391 Da
- 单同位素质量
- 1521.8066391 Da
- XLogP
- 暂无
- 极性表面积
- 591 Ų
- 氢键供体
- 4
- 氢键受体
- 34
- 可旋转键
- 10
- 重原子数
- 92
- 净电荷
- 0
- 结构复杂度
- 2870
结构标识
- InChIKey
- IEXHYEPMCRZIRQ-UHFFFAOYSA-H
- SMILES
- CC1=CC(=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)N5CCN(CC5)C6=NC(=NC(=N6)NC7=C8C(=CC(=C7)S(=O)(=O)[O-])C=C(C(=C8O)N=NC9=C(C=C(C=C9)C)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[K+].[K+].[K+]
- InChI
- InChI=1S/C44H36Cl2N14O20S6.3K.3Na/c1-19-3-5-25(29(11-19)83(69,70)71)55-57-35-31(85(75,76)77)15-21-13-23(81(63,64)65)17-27(33(21)37(35)61)47-41-49-39(45)51-43(53-41)59-7-9-60(10-8-59)44-52-40(46)50-42(54-44)48-28-18-24(82(66,67)68)14-22-16-32(86(78,79)80)36(38(62)34(22)28)58-56-26-6-4-20(2)12-30(26)84(72,73)74;;;;;;/h3-6,11-18,61-62H,7-10H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,47,49,51,53)(H,48,50,52,54);;;;;;/q;6*+1/p-6